Name | amyl caproate |
Synonyms | NSC 46119 NSC 53794 Amyl hexoate amylcapronate amyl caproate Amyl capronate pentyl hexanoate n-Amyl hexanoate n-Amyln-caproate n-Amyl n-hexanoate n-Caproic acid n-amyl ester Hexanoic Acid Amyl EsterPentyl HexanoateHexanoic Acid Pentyl Ester |
CAS | 540-07-8 |
EINECS | 208-732-4 |
InChI | InChI=1/C11H22O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3 |
Molecular Formula | C11H22O2 |
Molar Mass | 186.29 |
Density | 0.858g/mLat 25°C(lit.) |
Melting Point | -47°C |
Boling Point | 226°C(lit.) |
Flash Point | 195°F |
JECFA Number | 163 |
Vapor Presure | 0.09mmHg at 25°C |
Appearance | neat |
Color | Colorless to Almost colorless |
Merck | 14,605 |
Refractive Index | n20/D 1.42(lit.) |
Physical and Chemical Properties | Colorless liquid, banana and pineapple-like aroma. Melting Point -47 °c, boiling point 226 °c. Soluble in ethanol, propylene glycol and non-volatile oil, insoluble in glycerol and water. |
Hazard Symbols | Xi - Irritant |
Risk Codes | R36/38 - Irritating to eyes and skin. R36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
UN IDs | NA 1993 / PGIII |
WGK Germany | 2 |
RTECS | MO8421700 |
HS Code | 38220090 |
Toxicity | LD50 orl-rat: >5 g/kg FCTOD7 26,285,88 |
colorless liquid. It has the fruit aroma, alcohol-sweet, but with spicy taste.
prepared by reacting N-hexanoic acid and pentanol in the presence of p-toluenesulfonic acid.
used in the formulation of edible and daily flavor. For the preparation of fruit flavor, such as pineapple, mango, banana and other fruit aroma.
rat acute oral LD50 value of 0.85g/kg. Under the closed condition, the rabbit was subjected to a closed skin test at a dose of 5g/kg, and a slight irritation was found on 1 day. With 1% Vaseline preparation on human skin closure test, two days found no irritation and sensitization phenomenon.
FEMA | 2074 | AMYL HEXANOATE |
EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
toxicity | can be safely used in food (FDA, 172.515,2000). |
usage limit | FEMA(mg/kg): jelly and pudding, 0.3~3.7; Soft drink 5.3; Cold drink 6.0; Baked food 8.3; Candy 22; Gum candy 110. |
use | GB 2760-1996 specified as allowed food spices. |
Production method | It is formed by catalytic esterification of caproic acid and pentanol in benzene solution with toluenesulfonic acid. |